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直链伯醇结构与熔点关系的拓扑化学研究
引用本文:王克强. 直链伯醇结构与熔点关系的拓扑化学研究[J]. 信阳师范学院学报(自然科学版), 1995, 8(2): 180-183
作者姓名:王克强
作者单位:洛阳师专化学系
基金项目:河南省优秀中青年骨干教师基金
摘    要:用拓扑方法探讨了直链伯醇的熔点与分子结构的关系,提出一个结构基础明确的定关系式。对甲醇到1-三十四烷醇的计算结果表明,计算值与实验值的一致性令人满意。应用这一定量关系,不仅能够合理表征直链全醇的结构性能关系,而且有助有助于揭示物质结构与性能关系这间的奥秘。.

关 键 词:结构性能关系 熔点 伯醇 分子拓扑学 分子结构

Studies on theRelationshipBetWeenMelting Points of Normal PrimaryAlcohol and Its Molecular Structure by Using thetopology Chemistry
Wang Keqiang. Studies on theRelationshipBetWeenMelting Points of Normal PrimaryAlcohol and Its Molecular Structure by Using thetopology Chemistry[J]. Journal of Xinyang Teachers College(Natural Science Edition), 1995, 8(2): 180-183
Authors:Wang Keqiang
Abstract:An approach based on the molecular topology was used to study the relation-ship between melting points o f normal primary alcohols and its molecular structure for thefirst time in this paper,and aquantitative relation was developed which can be used to pre-dict the melting points and to characterize the structure-property relationship of normal pri-mary alcohols. The results calculated showed that the predicted melting points agreed withthe experimental melting points satisfactorily,and the mean relative deviation was only0. 298%for 28 kinds of normal primary alcohols.Not only can the quantitative relation pre-dict the melting points of normal primary alcohols but can help to discover the secret amongthe structure-property relationship.
Keywords:Structure-property relationship  Topological index  Quantitative rela-tion  Melting point  Normal primary alcohol
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